Molecule ID: mol29695

SMILES: CCCC(C)CNCCc1cccc2c1CC(=O)N2

InChI: InChI=1S/C16H24N2O/c1-3-5-12(2)11-17-9-8-13-6-4-7-15-14(13)10-16(19)18-15/h4,6-7,12,17H,3,5,8-11H2,1-2H3,(H,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.95 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization